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1,3,5-Tris[(3-methylphenyl)phenylamino]benzene, 97%

Catalog Number
ACM138143234-1
Product Name
1,3,5-Tris[(3-methylphenyl)phenylamino]benzene, 97%
Structure
CAS
138143-23-4
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
1-N,3-N,5-N-tris(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
Molecular Weight
621.8g/mol
Molecular Formula
C45H39N3
Canonical SMILES
CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC(=CC(=C3)N(C4=CC=CC=C4)C5=CC=CC(=C5)C)N(C6=CC=CC=C6)C7=CC=CC(=C7)C
InChI
InChI=1S/C45H39N3/c1-34-16-13-25-40(28-34)46(37-19-7-4-8-20-37)43-31-44(47(38-21-9-5-10-22-38)41-26-14-17-35(2)29-41)33-45(32-43)48(39-23-11-6-12-24-39)42-27-15-18-36(3)30-42/h4-33H,1-3H3
InChI Key
HKDGIZZHRDSLHF-UHFFFAOYSA-N
Complexity
802
Covalently-Bonded Unit Count
1
Exact Mass
621.314398g/mol
Formal Charge
0
Heavy Atom Count
48
Monoisotopic Mass
621.314398g/mol
Rotatable Bond Count
9
XLogP3
12.7
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